methyl 7-nitro-3-oxidanyl-9-oxidanylidene-4-phenyl-xanthene-2-carboxylate

Systemtic Name: methyl 7-nitro-3-oxidanyl-9-oxidanylidene-4-phenyl-xanthene-2-carboxylate Openeye Name: methyl 3-hydroxy-7-nitro-9-oxo-4-phenyl-xanthene-2-carboxylate CAS Name: 3-hydroxy-7-nitro-9-oxo-4-phenyl-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-7-nitro-9-oxo-4-phenylxanthene-2-carboxylate Traditional Name: 3-hydroxy-9-keto-7-nitro-4-phenyl-xanthene-2-carboxylic acid methyl ester Formula: C21H13NO7 MolecularWeight: 391.33042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=C(C(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)O

InChI

InChI=1S/C21H13NO7/c1-28-21(25)15-10-14-18(23)13-9-12(22(26)27)7-8-16(13)29-20(14)17(19(15)24)11-5-3-2-4-6-11/h2-10,24H,1H3